SCHEMBL19782569

SCHEMBL19782569

O=C(O)c1ccnc(-c2cccc(C(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
ACHE P22303 6/20 0.45
BCHE P06276 3/20 0.45
MAOB P27338 1/20 0.45
KDM4C Q9H3R0 2/20 0.44
KDM4A O75164 1/20 0.44
CHRM3 P20309 1/20 0.44
GSK3B P49841 2/20 0.44
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
WNK1 Q9H4A3 1/20 0.43
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
KCNH2 Q12809 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19782485 0.90 DRD2 (0.44) DRD2DRD4ACHEBCHEMAOB
SCHEMBL22839864 0.88 ACHE (0.43) DRD2DRD4ACHEBCHEMAOB
SCHEMBL18557719 0.82 CHRM3 (0.49) DRD2DRD4ACHEBCHEMAOB
SCHEMBL19770200 0.81 CHRM3 (0.67) DRD2DRD4ACHEBCHEMAOB
SCHEMBL19782567 0.81 CHRM3 (0.67) DRD2DRD4ACHEBCHEMAOB
SCHEMBL19784590 0.79 ACHE (0.43) DRD2DRD4ACHEBCHEMAOB
SCHEMBL18557605 0.79 DRD2 (0.50) DRD2DRD4ACHEBCHEMAOB
SCHEMBL24404488 0.77 BCHE (0.53) DRD2DRD4ACHEBCHEMAOB
SCHEMBL18557607 0.77 ACHE (0.50) DRD2DRD4ACHEBCHEMAOB
SCHEMBL19782475 0.76 BCHE (0.58) DRD2DRD4ACHEBCHEMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2019-02-05 US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B DRD2 373/4885DRD4 1506/4885ACHE 374/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B DRD2 373/4885DRD4 1506/4885ACHE 374/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.